# generated using pymatgen
data_Ba3SrSm2(CuO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.59014762
_cell_length_b   12.59014762
_cell_length_c   12.59014762
_cell_angle_alpha   154.75093772
_cell_angle_beta   154.75093772
_cell_angle_gamma   36.00903917
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba3SrSm2(CuO2)6
_chemical_formula_sum   'Ba3 Sr1 Sm2 Cu6 O12'
_cell_volume   362.65462845
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ba  Ba0  1  0.90436400  0.90436400  0.00000000  1.0
  Ba  Ba1  1  0.09599500  0.09599500  0.00000000  1.0
  Ba  Ba2  1  0.59571500  0.59571500  0.00000000  1.0
  Sr  Sr3  1  0.40004600  0.40004600  0.00000000  1.0
  Sm  Sm4  1  0.75022300  0.75022300  0.00000000  1.0
  Sm  Sm5  1  0.25026500  0.25026500  0.00000000  1.0
  Cu  Cu6  1  0.32181900  0.82181900  0.50000000  1.0
  Cu  Cu7  1  0.82181900  0.32181900  0.50000000  1.0
  Cu  Cu8  1  0.17903400  0.67903400  0.50000000  1.0
  Cu  Cu9  1  0.67903400  0.17903400  0.50000000  1.0
  Cu  Cu10  1  0.99935900  0.49935900  0.50000000  1.0
  Cu  Cu11  1  0.49935900  0.99935900  0.50000000  1.0
  O  O12  1  0.56187200  0.06582400  0.00000000  1.0
  O  O13  1  0.06582400  0.56187200  0.00000000  1.0
  O  O14  1  0.56187200  0.56187200  0.49604800  1.0
  O  O15  1  0.06582400  0.06582400  0.50395200  1.0
  O  O16  1  0.43782000  0.93717800  0.00000000  1.0
  O  O17  1  0.93717800  0.43782000  0.00000000  1.0
  O  O18  1  0.43782000  0.43782000  0.50064200  1.0
  O  O19  1  0.93717800  0.93717800  0.49935800  1.0
  O  O20  1  0.42366200  0.92366200  0.50000000  1.0
  O  O21  1  0.92366200  0.42366200  0.50000000  1.0
  O  O22  1  0.07512700  0.57512700  0.50000000  1.0
  O  O23  1  0.57512700  0.07512700  0.50000000  1.0